methyl 8-methyl-3-oxidanyl-8-azabicyclo[3.2.1]octane-4-carboxylate; 2,4,6-trinitrophenol

Systemtic Name: methyl 8-methyl-3-oxidanyl-8-azabicyclo[3.2.1]octane-4-carboxylate; 2,4,6-trinitrophenol Openeye Name: methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate; picric acid CAS Name: 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester; 2,4,6-trinitrophenol IUPAC Name: methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate; 2,4,6-trinitrophenol Traditional Name: 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester; picric acid Formula: C16H20N4O10 MolecularWeight: 428.3508

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1C(C(C2)O)C(=O)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C2CCC1C(C(C2)O)C(=O)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H17NO3.C6H3N3O7/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-9,12H,3-5H2,1-2H3;1-2,10H